SCHEMBL6830307

SCHEMBL6830307

CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3)c(C#N)sc2c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.59
PTGS1 P23219 5/20 0.53
ESR1 P03372 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6831945 0.89 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6830324 0.88 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6829777 0.88 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6830914 0.86 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6827195 0.85 PTGS2 (0.61) PTGS2PTGS1ESR1
SCHEMBL6827093 0.82 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6829923 0.79 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6829774 0.77 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL6826942 0.77 PTGS2 (0.53) PTGS2PTGS1ESR1
SCHEMBL6827048 0.76 PTGS2 (0.48) PTGS2PTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347963-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS HOFFMANN LA ROCHE (CH) 2004-08-25 EP claimed
EP-1347963-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-01 EP claimed
US-6433005-B1 SELECTIVE COX II INHIBITOR SYNTEX (U.S.A.) LLC 2002-08-13 US claimed
US-20020107280-A1 NEW BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS SYNTEX (U.S.A.) LLC 2002-08-08 US claimed
WO-2002046178-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-13 WO claimed
EP-1347963-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
US-6433005-B1 SELECTIVE COX II INHIBITOR SYNTEX (U.S.A.) LLC 2002-08-13 US disclosed
US-20020107280-A1 NEW BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS SYNTEX (U.S.A.) LLC 2002-08-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020107280-A1 NEW BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS SULT1E1, SULT2A1, SULT1A1 PTGS2 6/4885PTGS1 8/4885ESR1 1379/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.